NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
554503 |
2lem   |
17717 | cing | 4-filtered-FRED | Wattos | check | stereo assignment | distance |
data_2lem
save_assign_stereo
_Stereo_assign_list.Sf_category stereo_assignments
_Stereo_assign_list.Triplet_count 194
_Stereo_assign_list.Swap_count 5
_Stereo_assign_list.Swap_percentage 2.6
_Stereo_assign_list.Deassign_count 3
_Stereo_assign_list.Deassign_percentage 1.5
_Stereo_assign_list.Model_count 20
_Stereo_assign_list.Total_e_low_states 7.029
_Stereo_assign_list.Total_e_high_states 180.976
_Stereo_assign_list.Crit_abs_e_diff 0.100
_Stereo_assign_list.Crit_rel_e_diff 0.000
_Stereo_assign_list.Crit_mdls_favor_pct 75.0
_Stereo_assign_list.Crit_sing_mdl_viol 1.000
_Stereo_assign_list.Crit_multi_mdl_viol 0.500
_Stereo_assign_list.Crit_multi_mdl_pct 50.0
_Stereo_assign_list.Details
;
Description of the tags in this list:
* 1 * NMR-STAR 3 administrative tag
* 2 * NMR-STAR 3 administrative tag
* 3 * NMR-STAR 3 administrative tag
* 4 * Number of triplets (atom-group pair and pseudo)
* 5 * Number of triplets that were swapped
* 6 * Percentage of triplets that were swapped
* 7 * Number of deassigned triplets
* 8 * Percentage of deassigned triplets
* 9 * Number of models in ensemble
* 10 * Energy of the states with the lower energies summed for all triplets (Ang.**2)
* 11 * Energy of the states with the higher energies summed for all triplets (Ang.**2)
* 12 * Item 9-8
* 13 * Criterium for swapping assignment on the absolute energy difference (Ang.**2)
* 14 * Criterium for swapping assignment on the relative energy difference (Ang.**2)
* 15 * Criterium for swapping assignment on the percentage of models favoring a swap
* 16 * Criterium for deassignment on a single model violation (Ang.)
* 17 * Criterium for deassignment on a multiple model violation (Ang.)
* 18 * Criterium for deassignment on a percentage of models
* 19 * this tag
Description of the tags in the table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Name of pseudoatom representing the triplet
* 5 * Ordinal number of assignment (1 is assigned first)
* 6 * 'yes' if assignment state is swapped with respect to restraint file
* 7 * Percentage of models in which the assignment with the lowest
overall energy is favoured
* 8 * Percentage of difference between lowest and highest overall energy
with respect to the highest overall energy
* 9 * Difference between lowest and highest overall energy
* 10 * Energy of the highest overall energy state (Ang.**2)
* 11 * Energy of the lowest overall energy state (Ang.**2)
* 12 * Number of restraints involved with the triplet. The highest ranking
triplet on this number, is assigned first
* 13 * Number of restraints involved with the triplet that are ambiguous
besides the ambiguity from this triplet
* 14 * 'yes' if restraints included in this triplet are deassigned
* 15 * Maximum unaveraged violation before deassignment (Ang.)
* 16 * Number of violated restraints above threshold for a single model
before deassignment (given by Single_mdl_crit_count)
* 17 * Number of violated restraints above threshold for a multiple models
before deassignment (given by Multi_mdl_crit_count)
* 18 * NMR-STAR 3.0 administrative tag
* 19 * NMR-STAR 3.0 administrative tag
;
loop_
_Stereo_assign.Entity_assembly_ID
_Stereo_assign.Comp_index_ID
_Stereo_assign.Comp_ID
_Stereo_assign.Pseudo_Atom_ID
_Stereo_assign.Num
_Stereo_assign.Swapped
_Stereo_assign.Models_favoring_pct
_Stereo_assign.Energy_difference_pct
_Stereo_assign.Energy_difference
_Stereo_assign.Energy_high_state
_Stereo_assign.Energy_low_state
_Stereo_assign.Constraint_count
_Stereo_assign.Constraint_ambi_count
_Stereo_assign.Deassigned
_Stereo_assign.Violation_max
_Stereo_assign.Single_mdl_crit_count
_Stereo_assign.Multi_mdl_crit_count
1 6 GLN QB 190 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 7 TRP QB 189 no 15.0 96.3 0.000 0.000 0.000 2 0 no 0.010 0 0
1 8 ASP QB 188 no 100.0 100.0 0.192 0.192 0.000 2 0 no 0.000 0 0
1 9 LYS QB 187 no 90.0 80.9 0.048 0.060 0.011 2 0 no 0.339 0 0
1 9 LYS QG 186 no 25.0 89.5 0.000 0.000 0.000 2 0 no 0.019 0 0
1 10 VAL QG 5 no 100.0 100.0 3.919 3.919 0.000 17 0 no 0.000 0 0
1 11 LYS QB 90 no 35.0 100.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 11 LYS QE 185 no 90.0 85.7 0.002 0.002 0.000 2 0 no 0.074 0 0
1 11 LYS QG 184 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.072 0 0
1 12 ASP QB 183 no 85.0 100.0 0.004 0.004 0.000 2 0 no 0.000 0 0
1 13 PHE QB 182 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.003 0 0
1 13 PHE QD 95 yes 100.0 100.0 2.859 2.859 0.000 3 0 no 0.000 0 0
1 13 PHE QE 94 yes 100.0 100.0 5.731 5.732 0.001 3 0 no 0.057 0 0
1 15 ASN QB 181 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 15 ASN QD 89 no 65.0 95.8 0.014 0.014 0.001 4 0 no 0.060 0 0
1 16 VAL QG 11 no 100.0 100.0 7.359 7.359 0.000 13 0 no 0.000 0 0
1 17 TYR QB 180 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.008 0 0
1 17 TYR QD 47 no 100.0 100.0 17.039 17.039 0.000 6 0 no 0.019 0 0
1 17 TYR QE 46 no 100.0 100.0 11.061 11.061 0.000 6 0 no 0.000 0 0
1 18 VAL QG 4 no 70.0 100.0 0.002 0.002 0.000 18 0 no 0.000 0 0
1 19 ASP QB 45 no 100.0 99.7 0.480 0.481 0.001 6 0 no 0.092 0 0
1 21 VAL QG 8 no 100.0 100.0 2.147 2.147 0.000 15 0 no 0.000 0 0
1 22 LYS QB 179 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 23 ASP QB 44 no 90.0 83.4 0.001 0.001 0.000 6 0 no 0.072 0 0
1 24 SER QB 178 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 25 GLY QA 88 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.068 0 0
1 28 TYR QB 87 no 95.0 99.6 0.008 0.008 0.000 4 0 no 0.015 0 0
1 28 TYR QD 29 yes 100.0 100.0 25.101 25.102 0.000 7 0 no 0.047 0 0
1 28 TYR QE 194 yes 90.0 100.0 0.208 0.208 0.000 1 0 no 0.026 0 0
1 29 VAL QG 16 no 100.0 100.0 9.985 9.985 0.000 10 0 no 0.000 0 0
1 31 GLN QB 86 no 35.0 15.0 0.000 0.002 0.001 4 0 no 0.073 0 0
1 31 GLN QE 177 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 31 GLN QG 176 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 32 PHE QB 85 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 32 PHE QE 84 yes 100.0 100.0 4.234 4.235 0.001 4 0 no 0.060 0 0
1 33 GLU QG 175 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 34 SER QB 43 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.006 0 0
1 35 SER QB 174 no 30.0 88.1 0.002 0.002 0.000 2 0 no 0.062 0 0
1 37 LEU QB 83 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 37 LEU QD 42 no 100.0 100.0 10.844 10.844 0.000 6 0 no 0.000 0 0
1 38 GLY QA 173 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 39 GLN QB 172 no 100.0 99.8 0.004 0.004 0.000 2 0 no 0.009 0 0
1 39 GLN QG 171 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.064 0 0
1 40 GLN QB 170 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.036 0 0
1 40 GLN QG 169 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.027 0 0
1 41 LEU QB 26 no 40.0 91.1 0.001 0.001 0.000 8 0 no 0.021 0 0
1 41 LEU QD 41 no 100.0 100.0 4.135 4.135 0.000 6 0 no 0.000 0 0
1 42 ASN QD 168 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 43 LEU QB 25 no 100.0 84.5 0.005 0.006 0.001 8 0 no 0.065 0 0
1 43 LEU QD 10 no 100.0 100.0 2.845 2.845 0.000 13 0 no 0.000 0 0
1 45 LEU QD 24 no 100.0 100.0 4.857 4.857 0.000 8 0 no 0.000 0 0
1 46 LEU QB 82 no 100.0 100.0 0.059 0.059 0.000 4 0 no 0.000 0 0
1 46 LEU QD 23 no 100.0 100.0 1.025 1.025 0.000 8 0 no 0.000 0 0
1 47 GLU QB 167 no 60.0 100.0 0.010 0.010 0.000 2 0 no 0.000 0 0
1 52 LEU QD 93 no 10.0 100.0 0.042 0.042 0.000 3 0 no 0.000 0 0
1 53 GLY QA 166 no 70.0 80.2 0.001 0.002 0.000 2 0 no 0.052 0 0
1 56 VAL QG 165 no 55.0 100.0 0.212 0.212 0.000 2 0 no 0.000 0 0
1 58 GLN QB 164 no 65.0 40.5 0.001 0.003 0.002 2 0 no 0.175 0 0
1 59 LEU QB 81 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.053 0 0
1 59 LEU QD 3 no 100.0 100.0 0.686 0.686 0.000 18 0 no 0.000 0 0
1 60 GLN QB 163 no 100.0 94.1 0.009 0.010 0.001 2 0 no 0.058 0 0
1 61 GLU QG 80 no 100.0 0.0 0.000 0.003 0.003 4 0 no 0.253 0 0
1 62 ARG QB 22 no 100.0 67.6 0.011 0.016 0.005 8 0 no 0.255 0 0
1 62 ARG QG 79 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.016 0 0
1 63 LEU QB 78 no 100.0 93.2 0.002 0.002 0.000 4 0 no 0.026 0 0
1 63 LEU QD 7 no 100.0 100.0 9.841 9.841 0.000 15 0 no 0.000 0 0
1 64 GLY QA 77 no 100.0 0.0 0.000 0.001 0.001 4 0 no 0.050 0 0
1 66 LEU QB 162 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 66 LEU QD 15 no 100.0 100.0 9.518 9.518 0.000 10 0 no 0.000 0 0
1 69 ASP QB 40 no 100.0 97.9 0.020 0.021 0.000 6 0 no 0.050 0 0
1 70 PHE QB 161 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 70 PHE QD 193 no 50.0 0.9 0.058 6.592 6.535 1 0 yes 3.639 10 10
1 70 PHE QE 160 no 50.0 12.6 0.030 0.236 0.206 2 0 yes 0.725 0 10
1 71 TRP QB 159 no 100.0 99.7 0.003 0.003 0.000 2 0 no 0.015 0 0
1 72 ASP QB 76 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.028 0 0
1 74 LEU QB 158 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 74 LEU QD 13 no 100.0 100.0 0.658 0.658 0.000 11 0 no 0.000 0 0
1 75 GLU QB 157 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.026 0 0
1 76 LYS QB 156 no 20.0 42.6 0.005 0.012 0.007 2 0 no 0.271 0 0
1 76 LYS QG 155 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 77 GLU QB 154 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 77 GLU QG 75 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.034 0 0
1 79 ASP QB 153 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 80 TRP QB 74 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.030 0 0
1 81 VAL QG 39 no 100.0 100.0 1.349 1.349 0.000 6 0 no 0.000 0 0
1 82 ARG QB 152 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 82 ARG QG 151 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 83 GLN QB 150 no 80.0 54.4 0.001 0.001 0.001 2 0 no 0.107 0 0
1 83 GLN QG 149 no 0.0 0.0 0.000 0.000 0.000 2 0 no 0.026 0 0
1 85 MET QB 73 no 5.0 0.1 0.000 0.001 0.001 4 0 no 0.098 0 0
1 85 MET QG 148 no 0.0 0.0 0.000 0.000 0.000 2 0 no 0.057 0 0
1 86 ASN QB 72 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.021 0 0
1 87 LYS QB 71 no 100.0 98.6 0.039 0.039 0.001 4 0 no 0.080 0 0
1 87 LYS QG 147 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.017 0 0
1 88 ASP QB 146 no 35.0 100.0 0.034 0.034 0.000 2 0 no 0.004 0 0
1 89 LEU QB 70 no 100.0 91.0 0.014 0.016 0.001 4 0 no 0.094 0 0
1 89 LEU QD 145 no 15.0 100.0 0.001 0.001 0.000 2 0 no 0.000 0 0
1 90 GLU QB 144 no 100.0 98.0 0.006 0.007 0.000 2 0 no 0.015 0 0
1 90 GLU QG 69 no 100.0 95.9 0.004 0.004 0.000 4 0 no 0.015 0 0
1 91 GLU QB 21 no 95.0 94.5 0.014 0.015 0.001 8 0 no 0.039 0 0
1 91 GLU QG 143 no 100.0 0.0 0.000 0.001 0.001 2 0 no 0.058 0 0
1 92 VAL QG 1 no 100.0 100.0 0.865 0.865 0.000 22 0 no 0.000 0 0
1 93 LYS QB 68 no 100.0 93.6 0.002 0.002 0.000 4 0 no 0.030 0 0
1 93 LYS QG 142 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 94 GLN QB 141 no 100.0 89.1 0.002 0.002 0.000 2 0 no 0.033 0 0
1 94 GLN QG 140 no 95.0 92.6 0.002 0.002 0.000 2 0 no 0.036 0 0
1 95 LYS QB 139 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.047 0 0
1 95 LYS QD 138 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 95 LYS QG 137 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 96 VAL QG 6 no 100.0 100.0 0.285 0.285 0.000 16 0 no 0.000 0 0
1 97 GLN QB 136 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 97 GLN QE 192 no 70.0 100.0 0.197 0.197 0.000 1 0 no 0.016 0 0
1 97 GLN QG 135 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 99 TYR QD 134 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.043 0 0
1 99 TYR QE 191 no 40.0 68.4 0.142 0.207 0.066 1 0 yes 1.030 4 4
1 100 LEU QD 28 no 100.0 100.0 3.266 3.267 0.001 7 0 no 0.092 0 0
1 102 GLU QB 67 no 75.0 95.1 0.004 0.004 0.000 4 0 no 0.029 0 0
1 102 GLU QG 133 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 103 PHE QE 66 no 100.0 99.9 5.366 5.369 0.003 4 0 no 0.100 0 0
1 105 LYS QB 65 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.006 0 0
1 105 LYS QG 132 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 106 LYS QB 38 no 95.0 87.7 0.004 0.004 0.001 6 0 no 0.063 0 0
1 109 GLU QB 64 no 45.0 68.8 0.001 0.001 0.000 4 0 no 0.058 0 0
1 109 GLU QG 63 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.026 0 0
1 110 ASP QB 131 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 111 VAL QG 27 no 100.0 100.0 2.848 2.848 0.000 7 0 no 0.000 0 0
1 112 GLU QB 130 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.017 0 0
1 113 LEU QD 2 no 100.0 100.0 4.403 4.403 0.000 18 0 no 0.000 0 0
1 114 TYR QB 129 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 115 ARG QB 128 no 90.0 95.8 0.000 0.000 0.000 2 0 no 0.029 0 0
1 116 GLN QB 127 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 116 GLN QG 37 no 10.0 19.5 0.003 0.014 0.012 6 0 no 0.330 0 0
1 117 LYS QB 62 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 117 LYS QD 61 no 80.0 99.7 0.064 0.065 0.000 4 0 no 0.022 0 0
1 117 LYS QG 60 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 119 SER QB 59 no 95.0 97.0 0.004 0.004 0.000 4 0 no 0.026 0 0
1 121 GLN QG 126 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 122 GLY QA 58 no 100.0 94.8 0.002 0.003 0.000 4 0 no 0.027 0 0
1 124 GLU QB 57 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 124 GLU QG 125 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 125 LEU QB 56 no 55.0 96.7 0.032 0.033 0.001 4 0 no 0.048 0 0
1 125 LEU QD 48 no 55.0 100.0 0.025 0.025 0.000 5 0 no 0.000 0 0
1 126 GLN QB 124 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 127 GLU QB 36 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.000 0 0
1 138 GLY QA 123 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.073 0 0
1 140 LEU QD 122 no 25.0 100.0 0.001 0.001 0.000 2 0 no 0.000 0 0
1 141 SER QB 55 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 143 VAL QG 20 no 100.0 100.0 0.431 0.431 0.000 8 0 no 0.000 0 0
1 145 GLU QB 121 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 145 GLU QG 120 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 146 GLU QG 119 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 149 ASP QB 54 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.002 0 0
1 155 VAL QG 35 no 100.0 100.0 1.724 1.724 0.000 6 0 no 0.000 0 0
1 156 ASP QB 118 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.058 0 0
1 158 LEU QB 53 no 75.0 86.7 0.010 0.012 0.002 4 0 no 0.074 0 0
1 158 LEU QD 34 no 100.0 100.0 1.282 1.282 0.000 6 0 no 0.000 0 0
1 159 ARG QB 117 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.006 0 0
1 159 ARG QG 116 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 161 GLN QB 115 no 45.0 94.2 0.090 0.096 0.006 2 0 no 0.136 0 0
1 162 LEU QD 14 no 100.0 100.0 3.253 3.253 0.000 10 0 no 0.000 0 0
1 168 GLN QB 114 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 170 ARG QB 113 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 171 GLU QB 112 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.016 0 0
1 171 GLU QG 111 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.032 0 0
1 172 SER QB 110 no 100.0 99.5 0.364 0.366 0.002 2 0 no 0.108 0 0
1 173 LEU QB 109 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.005 0 0
1 173 LEU QD 12 no 100.0 100.0 3.068 3.068 0.000 12 0 no 0.000 0 0
1 175 GLN QB 108 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.043 0 0
1 175 GLN QG 33 no 30.0 77.3 0.018 0.023 0.005 6 0 no 0.144 0 0
1 176 ARG QB 19 no 100.0 94.0 0.012 0.013 0.001 8 0 no 0.067 0 0
1 176 ARG QG 52 no 55.0 99.5 0.009 0.009 0.000 4 0 no 0.021 0 0
1 177 LEU QB 51 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.037 0 0
1 177 LEU QD 18 no 100.0 100.0 0.740 0.740 0.000 8 0 no 0.000 0 0
1 179 GLU QG 107 no 65.0 32.9 0.004 0.011 0.007 2 0 no 0.201 0 0
1 180 LEU QB 106 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 180 LEU QD 9 no 100.0 100.0 1.578 1.578 0.000 14 0 no 0.000 0 0
1 181 LYS QB 105 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.026 0 0
1 186 LEU QD 92 no 95.0 100.0 3.523 3.523 0.000 3 0 no 0.000 0 0
1 189 TYR QB 104 no 50.0 70.5 0.003 0.004 0.001 2 0 no 0.088 0 0
1 198 LYS QB 50 no 80.0 4.7 0.006 0.131 0.125 4 0 no 0.842 0 4
1 200 LEU QB 103 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 200 LEU QD 91 no 25.0 100.0 0.001 0.001 0.000 3 0 no 0.000 0 0
1 201 GLY QA 32 no 95.0 59.7 0.002 0.004 0.001 6 0 no 0.036 0 0
1 205 ARG QB 31 no 0.0 0.0 0.000 0.001 0.001 6 0 no 0.110 0 0
1 205 ARG QG 102 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.002 0 0
1 208 LEU QB 101 no 75.0 73.0 0.005 0.007 0.002 2 0 no 0.115 0 0
1 208 LEU QD 17 no 100.0 100.0 2.860 2.860 0.000 9 0 no 0.000 0 0
1 209 GLU QB 100 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 209 GLU QG 30 no 100.0 0.0 0.000 0.000 0.000 6 0 no 0.010 0 0
1 210 ASP QB 99 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.000 0 0
1 211 LEU QD 49 no 100.0 0.0 0.000 0.000 0.000 4 0 no 0.000 0 0
1 212 ARG QB 98 no 100.0 0.0 0.000 0.000 0.000 2 0 no 0.008 0 0
1 212 ARG QG 97 no 0.0 0.0 0.000 0.000 0.000 2 0 no 0.038 0 0
1 215 LEU QD 96 no 85.0 100.0 0.708 0.708 0.000 2 0 no 0.000 0 0
stop_
save_
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